SCHEMBL1542214

SCHEMBL1542214

CS(=O)(=O)Nc1cc[c]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
PIK3CG P48736 3/20 0.35
ALOX15 P16050 2/20 0.34
HTT P42858 2/20 0.34
GLO1 Q04760 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
PIK3CB P42338 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27362662 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACYP2C19CA12
SCHEMBL5610032 0.75 POLB (0.54) KEAP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL5609394 0.74 ALDH1A1 (0.49) HTTSLC22A12ALDH1A1KDM4ELMNA
SCHEMBL182584 0.73
SCHEMBL422912 0.69
SCHEMBL316074 0.69 L3MBTL1 (0.52) CYP1A2ABL1KDM4ELMNASMN1; SMN2
SCHEMBL971568 0.69 PIK3CB (0.33) KEAP1PIK3CGALOX15HTTGLO1
SCHEMBL3554790 0.69 ALDH1A1 (0.37) KEAP1HTTGLO1ALDH1A1ABL1
SCHEMBL17065171 0.69 ALOX15 (0.34) KEAP1PIK3CGALOX15HTTGLO1
SCHEMBL2652011 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US claimed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-10-08 US disclosed
WO-2015134536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-09-11 WO disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KEAP1 2966/4885PIK3CG 170/4885ALOX15 4550/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A KEAP1 2667/4885PIK3CG 539/4885ALOX15 3336/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B KEAP1 912/4885PIK3CG 1517/4885ALOX15 3752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.